Geometry & MOs

Info

ID:	50855
PubChem CID:	12013444
Reduced:	HBr3S3C8 (1)
Stoich.:	AB3C3D8 (1)
Weight, g/mol:	164.131349
ΔH_f, kcal/mol:	98.63
Dipole, Da:	2.15
IP(EA), eV:	-8.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C2=C(S1)SC3=C2C(=C(S3)Br)Br)Br

DOS

IR

Vibrations